N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine

C14H30N2 — CID 62258479

IUPACN'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)CC(CC)(CC)CN
InChIInChI=1S/C14H30N2/c1-4-9-16(10-13-7-8-13)12-14(5-2,6-3)11-15/h13H,4-12,15H2,1-3H3
InChIKeyWWGREBAIUSGZGH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds9

About N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine

N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine (PubChem CID 62258479) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
PubChem CID62258479
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1CC1)CC(CC)(CC)CN
InChIInChI=1S/C14H30N2/c1-4-9-16(10-13-7-8-13)12-14(5-2,6-3)11-15/h13H,4-12,15H2,1-3H3
InChIKeyWWGREBAIUSGZGH-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 63495721
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylpentane-1,5-diamine
CID 65254511
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
N'-(cyclopropylmethyl)-2,2-dimethyl-N'-propylhexane-1,6-diamine
CID 106707901
N-(2-bromoethyl)-N-(cyclopropylmethyl)propan-1-amine
CID 61445615
N-(cyclopropylmethyl)-N-propylbutan-1-amine
CID 89097130
ethyl 2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]propanoate
CID 63910163
N'-butyl-N',2,2-triethylpropane-1,3-diamine
CID 62262666
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine (CID 62258479) is N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine is CCCN(CC1CC1)CC(CC)(CC)CN.
What is the InChIKey of N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
The InChIKey is WWGREBAIUSGZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-9-16(10-13-7-8-13)12-14(5-2,6-3)11-15/h13H,4-12,15H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62258479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).